[Pw_forum] FW: The corresponding WZ mode of the Phonons frequencies obtained???
BENYAHIA NEZHA
benyahia-nezha at hotmail.fr
Mon Aug 4 23:13:54 CEST 2014
From: benyahia-nezha at hotmail.fr
To: pw_forum at pwscf.org
Subject: FW: The corresponding WZ mode of the Phonons frequencies obtained???
Date: Sun, 20 Jul 2014 23:24:27 +0100
From: benyahia-nezha at hotmail.fr
To: pw_forum at pwscf.org
Subject: The corresponding WZ mode of the Phonons frequencies obtained???
Date: Wed, 16 Jul 2014 14:28:41 +0100
Dear quantum esspresso developers,
I have calculated phonon frequencies of the AlSb on the wurtzite structure at the G,K points of hight symmetry, i obtained these frequencies at G 0.00 0.00 0.00 47.02 47.02 151.73 310.79 310.79 316.32 319.33 328.36 335.35and k 81.04 83.45 89.83 90.68 129.95 138.88 294.87 299.38 300.65 302.13 305.12 316.96
My problem is that i dont know how to attribute these frequencies to their corresponding Wurtzite modes (A1(LO),E1(LO), A1(TO),E1(TO), E2h,,,,etc). To be more clear for example the frequency 328.36 corresponds to which mode????????I'll be you so grateful if you help.
regardsNh Ben.
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